U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H48O4
Molecular Weight 448.6783
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEASTERONE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C

InChI

InChIKey=SBSXXCCMIWEPEE-GZKYLSGOSA-N
InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H48O4
Molecular Weight 448.6783
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:00:15 GMT 2023
Edited
by admin
on Sat Dec 16 15:00:15 GMT 2023
Record UNII
O8HW7BJ06G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEASTERONE
Common Name English
ERGOSTAN-6-ONE, 3,22,23-TRIHYDROXY-, (3SS,5A,22R,23R,24S)-
Systematic Name English
(3.BETA.,5.ALPHA.,22R,23R,24S)-3,22,23-TRIHYDROXYERGOSTAN-6-ONE
Common Name English
Code System Code Type Description
PUBCHEM
13475125
Created by admin on Sat Dec 16 15:00:15 GMT 2023 , Edited by admin on Sat Dec 16 15:00:15 GMT 2023
PRIMARY
FDA UNII
O8HW7BJ06G
Created by admin on Sat Dec 16 15:00:15 GMT 2023 , Edited by admin on Sat Dec 16 15:00:15 GMT 2023
PRIMARY
CAS
92751-21-8
Created by admin on Sat Dec 16 15:00:15 GMT 2023 , Edited by admin on Sat Dec 16 15:00:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID1041136
Created by admin on Sat Dec 16 15:00:15 GMT 2023 , Edited by admin on Sat Dec 16 15:00:15 GMT 2023
PRIMARY